[QE-users] Problems with DFT + U Calculations: Fatal error in PMPI_Bcast

[Paolo Giannozzi]

I have reproduced a different one, though. It's the usual problem: small
differences between different processors, building up for no good reason.
It might be related to your problem as well. Solution soon (I hope)

Paolo

On Thu, Oct 25, 2018 at 10:13 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> From the FAQ: "Mysterious, unpredictable, erratic errors in parallel
> execution are almost always coming from bugs in the compiler or/and in the
> MPI libraries and sometimes even from flaky hardware."
> If the error is not reproducible on a different machine, the above
> statement applies. I couldn't reproduce any errors - apart from lack of
> convergence - but your job takes too much time for extensive testing
>
> Paolo
>
> On Wed, Oct 24, 2018 at 2:56 PM arini kar <arini.kar at gmail.com> wrote:
>
>> Dear Sir,
>>
>> The error arises in the middle during any scf iteration. In some of the
>> calculations, the error arises during the last scf calculation while in
>> some other it arises in the middle of the run.
>>
>> Is it due to some issues with parallelization? If so then what would be
>> the appropriate parallelization? I am currently using the default
>> parallelization.
>>
>> Regards
>> Arini Kar
>> M.Sc.-Ph.D.
>> IIT Bombay
>> India
>> _______________________________________________
>> users mailing list
>> users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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